(2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide

C29H26F6N2O — CID 22840630

IUPAC(2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
SMILESC[C@H](CCCc1cccnc1)NC(=O)/C=C/C=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H26F6N2O/c1-20(5-2-6-21-7-4-18-36-19-21)37-27(38)9-3-8-26(22-10-14-24(15-11-22)28(30,31)32)23-12-16-25(17-13-23)29(33,34)35/h3-4,7-20H,2,5-6H2,1H3,(H,37,38)/b9-3+/t20-/m1/s1
InChIKeyVVKYZRNLQWTRNS-AXPFDKOBSA-N
MW532.53 g/mol
LogP7.63
Rot. Bonds9

About (2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide

(2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide (PubChem CID 22840630) has the molecular formula C29H26F6N2O and a molecular weight of 532.53 g/mol. Its IUPAC name is (2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
PubChem CID22840630
Molecular FormulaC29H26F6N2O
Molecular Weight532.53 g/mol
Exact Mass532.19
IUPAC Name(2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
SMILESC[C@H](CCCc1cccnc1)NC(=O)/C=C/C=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H26F6N2O/c1-20(5-2-6-21-7-4-18-36-19-21)37-27(38)9-3-8-26(22-10-14-24(15-11-22)28(30,31)32)23-12-16-25(17-13-23)29(33,34)35/h3-4,7-20H,2,5-6H2,1H3,(H,37,38)/b9-3+/t20-/m1/s1
InChIKeyVVKYZRNLQWTRNS-AXPFDKOBSA-N
XLogP7.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.53
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide with MolForge

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Launch Full Analysis

Related Compounds

5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54386374
N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis(3,4,5-trimethoxyphenyl)penta-2,4-dienamide
CID 54410484
5-(4-methoxynaphthalen-2-yl)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54167167
(2E,4E)-5-pyridin-3-yl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
CID 22840709
N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide
CID 23051243
N-[(1R)-1-cyclopentyl-4-pyridin-3-ylbutyl]-5,5-bis(4-methoxyphenyl)penta-2,4-dienamide
CID 57019933
5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54263172
(2Z)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide
CID 14347364
5-(2,6-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
CID 54150101
N-(3-formyl-4-pyridinyl)-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 91310683
(2E,4E)-5-(3-methoxyphenyl)-4-methyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
CID 22840644
5,5-bis(3-methylphenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide
CID 23051537

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?
The IUPAC name of (2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide (CID 22840630) is (2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide.
What is the SMILES notation for (2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?
The canonical SMILES for (2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide is C[C@H](CCCc1cccnc1)NC(=O)/C=C/C=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?
The InChIKey is VVKYZRNLQWTRNS-AXPFDKOBSA-N. The full InChI is InChI=1S/C29H26F6N2O/c1-20(5-2-6-21-7-4-18-36-19-21)37-27(38)9-3-8-26(22-10-14-24(15-11-22)28(30,31)32)23-12-16-25(17-13-23)29(33,34)35/h3-4,7-20H,2,5-6H2,1H3,(H,37,38)/b9-3+/t20-/m1/s1.
What are the key properties of (2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?
(2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide has a molecular weight of 532.53 g/mol, XLogP of 7.63, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide is sourced from PubChem (CID 22840630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).